Primary record
Eldecalcitol
- CAS
- 104121-92-8
- PubChem CID
- 128495
- SMILES
- C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@@H]([C@@H]([C@H](C3=C)O)OCCCO)O)C
- Molecular Formula
- C30H50O5
- Molecular Weight
- 490.725
- Exact Mass
- 490.3658
- InChI
- InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/t20-,24-,25+,26+,27+,28+,30-/m1/s1
- InChIKey
- FZEXGDDBXLBRTD-JGBIVOAWSA-N
- LogP
- 5.0822
- TPSA
- 90.15
Names and synonyms
- Eldecalcitol
- 104121-92-8